N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine

C14H26N4O2S — CID 63877764

IUPACN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-7-15-10-13-5-8-18(9-6-13)21(19,20)14-11-17(3)12(2)16-14/h11,13,15H,4-10H2,1-3H3
InChIKeySPTWFWAXMUSKCW-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine

N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine (PubChem CID 63877764) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
PubChem CID63877764
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-7-15-10-13-5-8-18(9-6-13)21(19,20)14-11-17(3)12(2)16-14/h11,13,15H,4-10H2,1-3H3
InChIKeySPTWFWAXMUSKCW-UHFFFAOYSA-N
XLogP1.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine (CID 63877764) is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1.
What is the InChIKey of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The InChIKey is SPTWFWAXMUSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-7-15-10-13-5-8-18(9-6-13)21(19,20)14-11-17(3)12(2)16-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine has a molecular weight of 314.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63877764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).